(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yl)-Phosphoramidic Acid Dimethyl Ester
Thuốc Gốc
Small Molecule
CTHH: C8H18NO8P
PTK: 287.2042
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H18NO8P
Phân tử khối
287.2042
Monoisotopic mass
287.077003069
InChI
InChI=1S/C8H18NO8P/c1-15-18(14,16-2)9-8-7(13)6(12)5(11)4(3-10)17-8/h4-8,10-13H,3H2,1-2H3,(H,9,14)/t4-,5-,6+,7-,8-/m0/s1
InChI Key
InChIKey=LJBUJRWZZYUNKX-RLMOJYMMSA-N
IUPAC Name
(2S,3S,4R,5R,6S)-2-[(dimethoxyphosphoryl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
(2S,3S,4R,5R,6S)-2-[(dimethoxyphosphoryl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
COP(=O)(N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)OC
Độ hòa tan
3.26e+01 g/l
logP
-3
logS
-0.95
pKa (strongest acidic)
12.33
pKa (Strongest Basic)
-3
PSA
137.71 Å2
Refractivity
57.71 m3·mol-1
Polarizability
25.13 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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